Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8133994 | 0.92 | RAB9A (0.39) | RAB9ASMN1; SMN2NPC1MEN1KMT2A | |
| SCHEMBL8140679 | 0.84 | RAB9A (0.46) | RAB9ASMN1; SMN2NPC1HTTMEN1 | |
| SCHEMBL6638600 | 0.82 | RAB9A (0.44) | RAB9ASMN1; SMN2NPC1LOXL2NCF1 | |
| SCHEMBL8134849 | 0.79 | CYP1A2 (0.55) | RAB9ASMN1; SMN2NPC1HTTKMT2A | |
| SCHEMBL8184641 | 0.77 | RAB9A (0.44) | RAB9ASMN1; SMN2NPC1HTTMEN1 | |
| SCHEMBL8133558 | 0.77 | RAB9A (0.47) | RAB9ASMN1; SMN2NPC1MAPTHSP90AA1 | |
| SCHEMBL8124810 | 0.77 | RAB9A (0.43) | RAB9ASMN1; SMN2NPC1MEN1KMT2A | |
| SCHEMBL8138707 | 0.76 | RAB9A (0.73) | RAB9ASMN1; SMN2NPC1MEN1KMT2A | |
| SCHEMBL8125033 | 0.76 | ALDH1A1 (0.46) | RAB9ASMN1; SMN2NPC1HTTMEN1 | |
| SCHEMBL8139923 | 0.75 | RAB9A (0.44) | RAB9ASMN1; SMN2NPC1NCF1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6124306-A | Thioalkyl alpha substituted pyrimidine compounds | PHARMACIA & UPJOHN COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| WO-1999019304-A9 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | UPJOHN CO (US) | 1999-07-08 | — | — | WO | disclosed |